1-[rel-(3aR,6aR)-5-(ethanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-(2-methoxyphenyl)propan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-5-(ethanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-(2-methoxyphenyl)propan-1-one
1-[rel-(3aR,6aR)-5-(ethanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-(2-methoxyphenyl)propan-1-one
Compound characteristics
| Compound ID: | S988-0459 |
| Compound Name: | 1-[rel-(3aR,6aR)-5-(ethanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-(2-methoxyphenyl)propan-1-one |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C21 H28 N4 O5 S |
| Smiles: | CCS(N1C[C@@H]2CN(C[C@@]2(C1)c1nc(C)no1)C(CCc1ccccc1OC)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6649 |
| logD: | 1.6649 |
| logSw: | -2.2973 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 87.351 |
| InChI Key: | DIARMPDGRIOLJH-UTKZUKDTSA-N |